[Chimera-users] Duplicate Atom Serial Numbers
baucom at msg.ucsf.edu
Fri Nov 17 11:26:40 PST 2006
Thanks Elaine, Tom.
This is of course for "quick and dirty" helical structures where I
want to take a single chain and replicate it dozens of times while
imposing symmetry to create a short segment of a fiber. The MODEL and
ENDMDL are good suggestions, as well as the /dev/null redirect.
I suppose there are scenarios when one would want to know about
duplicate atoms, but in my case there are just so many that it is
pointless to print them all out. The ultimate solution here is really
for me to not to be so lazy ;)
As an aside, I typically use the program pdbsymm which is included
with the SITUS package to impose the symmetry to generate an
arbitrary number of symmetry mates along a helical axis (using polar
coordinates). It simply replicates the original PDB file while
updating the coordinates, thus I have the duplicate numbering problem.
But your suggestions should do the trick in the meantime.
More information about the Chimera-users